(4-octylcyclohexyl)methyl pyridine-3-carboxylate

Systemtic Name: (4-octylcyclohexyl)methyl pyridine-3-carboxylate Openeye Name: (4-octylcyclohexyl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (4-octylcyclohexyl)methyl ester IUPAC Name: (4-octylcyclohexyl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (4-octylcyclohexyl)methyl ester Formula: C21H33NO2 MolecularWeight: 331.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)COC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCCCCCC1CCC(CC1)COC(=O)C2=CN=CC=C2

InChI

InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-9-18-11-13-19(14-12-18)17-24-21(23)20-10-8-15-22-16-20/h8,10,15-16,18-19H,2-7,9,11-14,17H2,1H3